The 1,3-Isobenzofurandione,4-iodo-, with the CAS registry number 28418-88-4, is also known as 3-Iodophthalic anhydride. This chemical's molecular formula is C8H3IO3 and molecular weight is 274.0121. What's more, both its IUPAC name and systematic name are the same which is 4-Iodo-2-benzofuran-1,3-dione.
Physical properties about 1,3-Isobenzofurandione,4-iodo- are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 43.37 Å2; (7)Index of Refraction: 1.707; (8)Molar Refractivity: 48.58 cm3; (9)Molar Volume: 124.6 cm3; (10)Polarizability: 19.26×10-24 cm3; (11)Surface Tension: 67.3 dyne/cm; (12)Density: 2.198 g/cm3; (13)Flash Point: 182.3 °C; (14)Enthalpy of Vaporization: 62.57 kJ/mol; (15)Boiling Point: 377.9 °C at 760 mmHg; (16)Vapour Pressure: 6.55E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cccc2c1C(=O)OC2=O
(2) InChI: InChI=1/C8H3IO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H
(3) InChIKey: SKHCDRLTAOLKHQ-UHFFFAOYAC
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